SCHEMBL4023112

SCHEMBL4023112

NNC(=O)C1(O)c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CHRM2 P08172 2/20 0.47
▸ CHRM1 P11229 2/20 0.47
▸ CHRM3 P20309 2/20 0.47
▸ GAA P10253 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ PDK2 Q15119 3/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ APEX1 P27695 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6921293 0.82 PDK2 (0.50) THRBTDP1KDM4ELMNAHTT
SCHEMBL22767920 0.77 THRB (0.65) THRBTDP1KDM4ELMNAHTT
SCHEMBL29663083 0.76 THRB (0.59) THRBTDP1KDM4ELMNAHTT
SCHEMBL3245527 0.76 THRB (0.59) THRBTDP1KDM4ELMNAHTT
SCHEMBL66735 0.74 THRB (1.00) THRBTDP1KDM4ELMNAHTT
SCHEMBL4636492 0.74 THRB (0.68) THRBTDP1KDM4ELMNAHTT
SCHEMBL11469925 0.74 THRB (1.00) THRBTDP1KDM4ELMNAHTT
SCHEMBL30488775 0.74 THRB (1.00) THRBTDP1KDM4ELMNAHTT
SCHEMBL4023562 0.73 THRB (0.64) THRBTDP1KDM4ELMNAHTT
SCHEMBL406841 0.72 THRB (0.65) THRBTDP1KDM4ELMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009098453-A1 AZONIA BICYCLOALKANES AS M3 MUSCARINIC ACETYLCHOLIN RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-08-13 — — WO disclosed
Send feedback